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4-[(2,5-dichlorophenoxy)methyl]-N-(2,3-dimethylphenyl)benzamide
SpectraBase Compound ID HFJfGFOtaNY
InChI InChI=1S/C22H19Cl2NO2/c1-14-4-3-5-20(15(14)2)25-22(26)17-8-6-16(7-9-17)13-27-21-12-18(23)10-11-19(21)24/h3-12H,13H2,1-2H3,(H,25,26)
InChIKey BNGDZJZBBPAKKT-UHFFFAOYSA-N
Mol Weight 400.31 g/mol
Molecular Formula C22H19Cl2NO2
Exact Mass 399.079284 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FfLJ7JDwuLl
Name 4-[(2,5-Dichlorophenoxy)methyl]-N-(2,3-dimethylphenyl)benzamide
Comments Computed using HOSE algorithm
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Exact Mass 399.079284254 u
Formula C22H19Cl2NO2
InChI InChI=1S/C22H19Cl2NO2/c1-14-4-3-5-20(15(14)2)25-22(26)17-8-6-16(7-9-17)13-27-21-12-18(23)10-11-19(21)24/h3-12H,13H2,1-2H3,(H,25,26)
InChIKey BNGDZJZBBPAKKT-UHFFFAOYSA-N
Molecular Weight 400.305 g/mol
SMILES N(C(C1=CC=C(COC=2C=C(Cl)C=CC2Cl)C=C1)=O)C=1C(=C(C)C=CC1)C